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Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations.

Mohan ChenJunchao XiaChen HuangJohannes M. DieterichLinda HungIlgyou ShinEmily A. Carter
Published in: Comput. Phys. Commun. (2015)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics